N-ethyl-4-fluoro-3,5-dimethoxyaniline

C10H14FNO2 — CID 10943484

IUPACN-ethyl-4-fluoro-3,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(F)c(OC)c1
InChIInChI=1S/C10H14FNO2/c1-4-12-7-5-8(13-2)10(11)9(6-7)14-3/h5-6,12H,4H2,1-3H3
InChIKeyBPUIFOJPCYMULM-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.27
Rot. Bonds4

About N-ethyl-4-fluoro-3,5-dimethoxyaniline

N-ethyl-4-fluoro-3,5-dimethoxyaniline (PubChem CID 10943484) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3,5-dimethoxyaniline
PubChem CID10943484
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC NameN-ethyl-4-fluoro-3,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(F)c(OC)c1
InChIInChI=1S/C10H14FNO2/c1-4-12-7-5-8(13-2)10(11)9(6-7)14-3/h5-6,12H,4H2,1-3H3
InChIKeyBPUIFOJPCYMULM-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
4-ethoxy-N-ethyl-3,5-dimethoxyaniline
CID 23620608
N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
CID 174514684
5-(ethylamino)-2-methoxyphenol
CID 43743866
3-(ethylamino)-5-methoxyphenol
CID 142928379
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
4-N-ethyl-2-methoxy-1-N-(1-methoxyethyl)benzene-1,4-diamine
CID 70469273
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
CID 114841089
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3,5-dimethoxyaniline?
The IUPAC name of N-ethyl-4-fluoro-3,5-dimethoxyaniline (CID 10943484) is N-ethyl-4-fluoro-3,5-dimethoxyaniline.
What is the SMILES notation for N-ethyl-4-fluoro-3,5-dimethoxyaniline?
The canonical SMILES for N-ethyl-4-fluoro-3,5-dimethoxyaniline is CCNc1cc(OC)c(F)c(OC)c1.
What is the InChIKey of N-ethyl-4-fluoro-3,5-dimethoxyaniline?
The InChIKey is BPUIFOJPCYMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-4-12-7-5-8(13-2)10(11)9(6-7)14-3/h5-6,12H,4H2,1-3H3.
What are the key properties of N-ethyl-4-fluoro-3,5-dimethoxyaniline?
N-ethyl-4-fluoro-3,5-dimethoxyaniline has a molecular weight of 199.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-3,5-dimethoxyaniline is sourced from PubChem (CID 10943484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).